N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide

C20H24N2O3 — CID 94021194

IUPACN-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1
InChIInChI=1S/C20H24N2O3/c1-13-10-17(13)18-8-6-16(25-18)7-9-19(23)22-12-14-4-3-5-15(11-14)20(24)21-2/h3-6,8,11,13,17H,7,9-10,12H2,1-2H3,(H,21,24)(H,22,23)/t13-,17-/m1/s1
InChIKeyYVYQLWAXFHXBPK-CXAGYDPISA-N
MW340.42 g/mol
LogP3.01
Rot. Bonds7

About N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide

N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide (PubChem CID 94021194) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide
PubChem CID94021194
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1
InChIInChI=1S/C20H24N2O3/c1-13-10-17(13)18-8-6-16(25-18)7-9-19(23)22-12-14-4-3-5-15(11-14)20(24)21-2/h3-6,8,11,13,17H,7,9-10,12H2,1-2H3,(H,21,24)(H,22,23)/t13-,17-/m1/s1
InChIKeyYVYQLWAXFHXBPK-CXAGYDPISA-N
XLogP3.01
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide with MolForge

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Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55854264
3-[[[cyclopropyl-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]carbamoyl]amino]methyl]-N-methylbenzamide
CID 55809322
3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide
CID 97023104
4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide
CID 56812725
2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549379
N-methyl-3-[[4-(methylamino)butanoylamino]methyl]benzamide
CID 119719954
N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide
CID 124624589
N-[[(2R,4R)-1-benzyl-4-hydroxypyrrolidin-2-yl]methyl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 124840859
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014209
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473556
N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94017148
N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103713210

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide (CID 94021194) is N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide is CNC(=O)c1cccc(CNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1.
What is the InChIKey of N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide?
The InChIKey is YVYQLWAXFHXBPK-CXAGYDPISA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-10-17(13)18-8-6-16(25-18)7-9-19(23)22-12-14-4-3-5-15(11-14)20(24)21-2/h3-6,8,11,13,17H,7,9-10,12H2,1-2H3,(H,21,24)(H,22,23)/t13-,17-/m1/s1.
What are the key properties of N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide?
N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzamide is sourced from PubChem (CID 94021194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).